(3E)-3-(4-acetamidophenyl)sulfonylimino-2-(3-methylimidazol-3-ium-1-yl)-4-oxidanylidene-naphthalen-1-olate

Systemtic Name: (3E)-3-(4-acetamidophenyl)sulfonylimino-2-(3-methylimidazol-3-ium-1-yl)-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3E)-3-(4-acetamidophenyl)sulfonylimino-2-(3-methylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3E)-3-(4-acetamidophenyl)sulfonylimino-2-(3-methyl-1-imidazol-3-iumyl)-4-oxo-1-naphthalenolate IUPAC Name: (3E)-3-(4-acetamidophenyl)sulfonylimino-2-(3-methylimidazol-3-ium-1-yl)-4-oxonaphthalen-1-olate Traditional Name: (3E)-3-(4-acetamidophenyl)sulfonylimino-4-keto-2-(3-methylimidazol-3-ium-1-yl)naphthalen-1-olate Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])N4C=C[N+](=C4)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C(=C(C3=CC=CC=C3C2=O)[O-])N4C=C[N+](=C4)C

InChI

InChI=1S/C22H18N4O5S/c1-14(27)23-15-7-9-16(10-8-15)32(30,31)24-19-20(26-12-11-25(2)13-26)22(29)18-6-4-3-5-17(18)21(19)28/h3-13H,1-2H3,(H-,23,24,27,29)